AB00490979-02
TL;DR: AB00490979-02 (CAS 1164563-63-6) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dioxopyrrolidin-1-yl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
Also Known As: AB00490979-02, F1814-1145, (Z)-2-(2,5-dioxopyrrolidin-1-yl)-N-(3,4,7-trimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide, 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2Z)-3,4,7-trimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
Technical Specifications
| Molecular Formula | C16H17N3O3S |
| Molecular Weight | 331.09906 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.09906 Da |
| Heavy Atoms | 23 |
| Complexity | 561.0 |
| SMILES | CC1=C2C(=C(C=C1)C)SC(=NC(=O)CN3C(=O)CCC3=O)N2C |
| InChIKey | DYILFBSXGUAUPJ-UHFFFAOYSA-N |
Chemical Property Profile of AB00490979-02
Property Insights of AB00490979-02
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00490979-02. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00490979-02. Following Lipinski's Rule of Five, AB00490979-02 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00490979-02?
The CAS number of AB00490979-02 is 1164563-63-6.
What is the molecular formula of AB00490979-02?
The molecular formula of AB00490979-02 is C16H17N3O3S.
What is the molecular weight of AB00490979-02?
The molecular weight of AB00490979-02 is 331.09906 g/mol.
Where can I buy AB00490979-02?
You can request a quote for AB00490979-02 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00490979-02?
Yes, CoreyChem provides custom synthesis services for AB00490979-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.